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CAS 156482-73-4 2-(2-methoxy-1-naphthyl)-1-ethanamine hydrochloride molecular structure lightbox
CAS RN: 156482-73-4

2-(2-methoxy-1-naphthyl)-1-ethanamine hydrochloride

  • Product code: SSC-065459
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 156482-73-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

156482-73-4 / 2-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride

Standard CAS: 156482-73-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
156482-73-4
Multi CAS
No
Molecular Formula
C13H16ClNO
Molecular Weight
237.720000
Exact Mass
237.092042
SMILES
COC1=C(C2=CC=CC=C2C=C1)CCN.Cl
InChI
InChI=1S/C13H15NO.ClH/c1-15-13-7-6-10-4-2-3-5-11(10)12(13)8-9-14;/h2-7H,8-9,14H2,1H3;1H
InChIKey
VICYBFXTDOLALA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.51
TPSA
35.25

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
2.77
Consensus LogP
2.66
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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